REMARK  Name = BDB057965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717   2.518   0.466  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.220   1.652   1.449  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.042   1.880   2.014  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.763   3.017   1.617  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.244   3.899   0.664  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.001   3.652   0.087  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.680   1.366  -2.819  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -3.584   0.814  -1.392  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -2.247   1.043  -0.807  0.00  0.00    -0.286 N 
ATOM     10  C   LIG    1       -2.035   2.261  -0.152  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -2.900   3.126  -0.042  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.132   0.275  -1.388  0.00  0.00    +0.184 C 
ATOM     13  C   LIG    1       -1.543  -1.127  -1.652  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -0.778  -2.161  -1.922  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1       -1.592  -3.256  -2.097  0.00  0.00    -0.125 NA
ATOM     16  C   LIG    1       -2.847  -2.873  -1.933  0.00  0.00    +0.238 A 
ATOM     17  N   LIG    1       -2.849  -1.534  -1.657  0.00  0.00    -0.305 N 
ATOM     18  C   LIG    1       -3.964  -0.674  -1.323  0.00  0.00    +0.147 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.080  -3.692  -2.010  0.00  0.00    +0.452 C 
ATOM     20  F   LIG    1       -4.882  -3.284  -3.030  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -3.847  -5.014  -2.191  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -4.823  -3.571  -0.877  0.00  0.00    -0.163 F 
ENDBRANCH  16  19
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        1.603   0.936   3.053  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.975   0.385   2.679  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        3.093  -0.722   1.694  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.381  -1.140   1.362  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.581  -2.167   0.430  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        3.483  -2.780  -0.170  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.193  -2.373   0.163  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.536  -0.495   2.006  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        6.686  -0.830   1.746  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        5.246   0.493   2.914  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        6.032   0.949   3.369  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        1.994  -1.349   1.095  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        4.007   0.941   3.245  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4